N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide

C14H28N2O — CID 79116038

IUPACN-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(C(=O)CC(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-5-16(13(17)10-14(2,3)4)12-8-6-11(15)7-9-12/h11-12H,5-10,15H2,1-4H3
InChIKeyOCEQLYCSCUPRQO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds3

About N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide

N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide (PubChem CID 79116038) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide
PubChem CID79116038
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(C(=O)CC(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-5-16(13(17)10-14(2,3)4)12-8-6-11(15)7-9-12/h11-12H,5-10,15H2,1-4H3
InChIKeyOCEQLYCSCUPRQO-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminocyclohexyl)-2-cyclohexyl-N-ethylacetamide
CID 79115417
N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide
CID 79115846
[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23731868
N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209610
N-(4-aminocyclohexyl)-N-ethylcyclobutanecarboxamide
CID 79116436
N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
CID 79115669
methyl N-[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]carbamate
CID 23940373
N-(2-aminoethyl)-N-cyclopentyl-3,3-dimethylbutanamide
CID 63755164
N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
CID 23963683
1-(4-aminocyclohexyl)-1-ethyl-3-propan-2-ylurea
CID 79116126
N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide
CID 79115434
N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
CID 79115940

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide (CID 79116038) is N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide is CCN(C(=O)CC(C)(C)C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide?
The InChIKey is OCEQLYCSCUPRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-16(13(17)10-14(2,3)4)12-8-6-11(15)7-9-12/h11-12H,5-10,15H2,1-4H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide?
N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 79116038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).